General Information of the Compound
| Compound ID |
CP0866135
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| Compound Name |
SID49731925
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| Structure |
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| Formula |
C23H29N3O3S2
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| Molecular Weight |
459.637
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| Canonical SMILES |
Cc1ccc2sc(N(CCCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc2c1C
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| InChI |
InChI=1S/C23H29N3O3S2/c1-17-11-12-20-22(18(17)2)24-23(30-20)26(15-8-14-25(3)4)21(27)13-16-31(28,29)19-9-6-5-7-10-19/h5-7,9-12H,8,13-16H2,1-4H3
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| InChIKey |
NUJXVMRLMSLQGQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3